methyl 3-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13(2)8-10-22-18(23)15-6-4-5-7-16(15)21-20(22)27-12-14-9-11-26-17(14)19(24)25-3/h4-7,9,11,13H,8,10,12H2,1-3H3